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Solving molecular compounds from powder diffraction data: are results always reliable?

Commentary is given on a paper [Schlesinger et al. (2022). IUCrJ, 9, 406–424.] reporting on ambiguous structure determination from powder data using four different structural models of 4,11-difluoroquinacridone with similar X-ray powder patterns.

Detalles Bibliográficos
Autor principal: Altomare, Angela
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9252149/
https://www.ncbi.nlm.nih.gov/pubmed/35844474
http://dx.doi.org/10.1107/S2052252522006571